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Geometry for CH3SSCH3 (Disulfide, dimethyl) 1A C2

1910171554
InChI=1S/C2H6S2/c1-3-4-2/h1-2H3 INChIKey=WQOXQRCZOLPYPM-UHFFFAOYSA-N

PBEPBE/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.4559 0.9331 -0.4965   -0.5066 -0.4447 0.9331
S2 0.4559 -0.9331 -0.4965   -0.4862 0.4669 -0.9331
C3 0.4559 1.8615 0.7995   0.8095 0.4380 1.8615
C4 -0.4559 -1.8615 0.7995   0.7891 -0.4737 -1.8615
H5 0.0466 2.8844 0.7797   0.7806 0.0291 2.8844
H6 0.2906 1.4291 1.7969   1.8030 0.2504 1.4291
H7 1.5302 1.8954 0.5706   0.6046 1.5171 1.8954
H8 -0.0466 -2.8844 0.7797   0.7785 -0.0640 -2.8844
H9 -0.2906 -1.4291 1.7969   1.7900 -0.3307 -1.4291
H10 -1.5302 -1.8954 0.5706   0.5362 -1.5426 -1.8954
Atom - Atom Distances (Å)
  S1 S2 C3 C4 H5 H6 H7 H8 H9 H10
S1 2.0770 1.8366 3.0804 2.3852 2.4624 2.4515 4.0459 3.2965 3.2083
S2 2.0770 3.0804 1.8366 4.0459 3.2965 3.2083 2.3852 2.4624 2.4515
C3 1.8366 3.0804 3.8330 1.1020 1.0996 1.0990 4.7725 3.5185 4.2558
C4 3.0804 1.8366 3.8330 4.7725 3.5185 4.2558 1.1020 1.0996 1.0990
H5 2.3852 4.0459 1.1020 4.7725 1.7923 1.7953 5.7696 4.4447 5.0376
H6 2.4624 3.2965 1.0996 3.5185 1.7923 1.8050 4.4447 2.9167 3.9840
H7 2.4515 3.2083 1.0990 4.2558 1.7953 1.8050 5.0376 3.9840 4.8721
H8 4.0459 2.3852 4.7725 1.1020 5.7696 4.4447 5.0376 1.7923 1.7953
H9 3.2965 2.4624 3.5185 1.0996 4.4447 2.9167 3.9840 1.7923 1.8050
H10 3.2083 2.4515 4.2558 1.0990 5.0376 3.9840 4.8721 1.7953 1.8050
Maximum atom distance is 5.7696Å between atoms H5 and H8.
picture of Disulfide, dimethyl
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 C4 103.662 S2 S1 C3 103.662
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 105.792 S1 C3 H6 111.511
S1 C3 H7 110.732 S2 C4 H8 105.792
S2 C4 H9 111.511 S2 C4 H10 110.732
H5 C3 H6 108.992 H5 C3 H7 109.313
H6 C3 H7 110.369 H8 C4 H9 108.992
H8 C4 H10 109.313 H9 C4 H10 110.369

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.